(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride

C11H14ClFN2OS — CID 86667993

IUPAC(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride
SMILESC[C@@]1(c2cc(N)ccc2F)COCC(=S)N1.Cl
InChIInChI=1S/C11H13FN2OS.ClH/c1-11(6-15-5-10(16)14-11)8-4-7(13)2-3-9(8)12;/h2-4H,5-6,13H2,1H3,(H,14,16);1H/t11-;/m0./s1
InChIKeyXIKQMVUFLOLGOY-MERQFXBCSA-N
MW276.76 g/mol
LogP1.99
Rot. Bonds1

About (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride

(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride (PubChem CID 86667993) has the molecular formula C11H14ClFN2OS and a molecular weight of 276.76 g/mol. Its IUPAC name is (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride.

Molecular Properties

Compound Name(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride
PubChem CID86667993
Molecular FormulaC11H14ClFN2OS
Molecular Weight276.76 g/mol
Exact Mass276.05
IUPAC Name(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride
SMILESC[C@@]1(c2cc(N)ccc2F)COCC(=S)N1.Cl
InChIInChI=1S/C11H13FN2OS.ClH/c1-11(6-15-5-10(16)14-11)8-4-7(13)2-3-9(8)12;/h2-4H,5-6,13H2,1H3,(H,14,16);1H/t11-;/m0./s1
InChIKeyXIKQMVUFLOLGOY-MERQFXBCSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(5-Amino-2-fluorophenyl)-5-methylmorpholine-3-thione
CID 58155186
(RS)-5-[5-(benzhydrylidene-amino)-2-fluoro-phenyl]-5-cyclopropyl-morpholine-3-thione
CID 58155199
5-(5-Amino-2-fluorophenyl)-5-methylmorpholin-3-one
CID 58155207
(RS)-5-(5-amino-2-fluoro-phenyl)-5-cyclopropyl-morpholine-3-thione
CID 58155241
(R)-5-(5-Amino-2-fluoro-phenyl)-5-methyl-morpholine-3-thione
CID 58155253
(R)-5-(5-Amino-2-fluoro-phenyl)-5,6,6-trimethyl-morpholine-3-thione
CID 58155259
(R)-5-(5-amino-2-fluoro-phenyl)-5-methyl-morpholin-3-one
CID 58155273
(S)-5-(5-amino-2-fluoro-phenyl)-5,7,7-trimethyl-[1,4]oxazepane-3-thione
CID 58562953
(R)-5-(5-amino-2-fluorophenyl)-6,6-difluoro-5,7,7-trimethyl-1,4-oxazepane-3-thione
CID 58563112
(5R)-5-(5-amino-2-fluorophenyl)-2,2-bis(fluoromethyl)-5-methylmorpholin-3-amine
CID 68109957
5-(5-Amino-2-fluorophenyl)-5,6,6-trimethylmorpholine-3-thione
CID 76688667
5-(5-Amino-2-fluorophenyl)-5,7,7-trimethyl-1,4-oxazepane-3-thione
CID 76831109

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride?
The IUPAC name of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride (CID 86667993) is (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride.
What is the SMILES notation for (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride?
The canonical SMILES for (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride is C[C@@]1(c2cc(N)ccc2F)COCC(=S)N1.Cl.
What is the InChIKey of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride?
The InChIKey is XIKQMVUFLOLGOY-MERQFXBCSA-N. The full InChI is InChI=1S/C11H13FN2OS.ClH/c1-11(6-15-5-10(16)14-11)8-4-7(13)2-3-9(8)12;/h2-4H,5-6,13H2,1H3,(H,14,16);1H/t11-;/m0./s1.
What are the key properties of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride?
(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholine-3-thione;hydrochloride is sourced from PubChem (CID 86667993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).